HMDB0031503
     RDKit          3D
1-Hexen-3-ol
 19 18  0  0  0  0  0  0  0  0999 V2000
    3.2080   -0.4447    0.5381 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1286   -0.1659   -0.1605 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8403   -0.0424    0.5177 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7559    1.1926    1.1809 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3466   -0.1229   -0.4488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5877    0.0203    0.4032 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8562   -0.0344   -0.3734 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1868   -0.5905    1.6166 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2022   -0.5488    0.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1975   -0.0303   -1.2230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6830   -0.8701    1.2384 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8353    1.9114    0.5038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2849   -1.1341   -0.9103 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2192    0.6925   -1.1588 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5190    1.0107    0.8991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5543   -0.7578    1.1822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8055    0.5908   -1.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6644    0.4023    0.2816 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1997   -1.0788   -0.5886 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  3  5  1  0
  5  6  1  0
  6  7  1  0
  1  8  1  0
  1  9  1  0
  2 10  1  0
  3 11  1  0
  4 12  1  0
  5 13  1  0
  5 14  1  0
  6 15  1  0
  6 16  1  0
  7 17  1  0
  7 18  1  0
  7 19  1  0
M  END